3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one

C12H22N2O — CID 79642697

IUPAC3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one
SMILESCN(C)CC1CCCN1C1CCC(=O)C1
InChIInChI=1S/C12H22N2O/c1-13(2)9-11-4-3-7-14(11)10-5-6-12(15)8-10/h10-11H,3-9H2,1-2H3
InChIKeyLPPRTSXIIKRPFO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.13
Rot. Bonds3

About 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one (PubChem CID 79642697) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one
PubChem CID79642697
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one
SMILESCN(C)CC1CCCN1C1CCC(=O)C1
InChIInChI=1S/C12H22N2O/c1-13(2)9-11-4-3-7-14(11)10-5-6-12(15)8-10/h10-11H,3-9H2,1-2H3
InChIKeyLPPRTSXIIKRPFO-UHFFFAOYSA-N
XLogP1.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one?
The IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one (CID 79642697) is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one is CN(C)CC1CCCN1C1CCC(=O)C1.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one?
The InChIKey is LPPRTSXIIKRPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-13(2)9-11-4-3-7-14(11)10-5-6-12(15)8-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one?
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one is sourced from PubChem (CID 79642697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).